4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one

C20H16N2O3 — CID 11232831

IUPAC4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyIWVOYZQRBNJWPZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.62
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one

4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one (PubChem CID 11232831) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one
PubChem CID11232831
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyIWVOYZQRBNJWPZ-UHFFFAOYSA-N
XLogP3.62
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one (CID 11232831) is 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one?
The InChIKey is IWVOYZQRBNJWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one?
4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 11232831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).